1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0277 |
| Compound Name: | 1-(3,4-dimethylphenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(c3cnn(c4ccc(C)c(C)c4)c3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0669 |
| logD: | 6.0281 |
| logSw: | -5.2125 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | RYLVUUIHSGTTTO-UHFFFAOYSA-N |